N-(3-bromophenyl)-5-methyl-1H-pyrazol-4-amine

C10H10BrN3 — CID 115046902

IUPACN-(3-bromophenyl)-5-methyl-1H-pyrazol-4-amine
SMILESCc1[nH]ncc1Nc1cccc(Br)c1
InChIInChI=1S/C10H10BrN3/c1-7-10(6-12-14-7)13-9-4-2-3-8(11)5-9/h2-6,13H,1H3,(H,12,14)
InChIKeyRVILZVMSIQAATQ-UHFFFAOYSA-N
MW252.12 g/mol
LogP3.22
Rot. Bonds2

About N-(3-bromophenyl)-5-methyl-1H-pyrazol-4-amine

N-(3-bromophenyl)-5-methyl-1H-pyrazol-4-amine (PubChem CID 115046902) has the molecular formula C10H10BrN3 and a molecular weight of 252.12 g/mol. Its IUPAC name is N-(3-bromophenyl)-5-methyl-1H-pyrazol-4-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-5-methyl-1H-pyrazol-4-amine
PubChem CID115046902
Molecular FormulaC10H10BrN3
Molecular Weight252.12 g/mol
Exact Mass251.01
IUPAC NameN-(3-bromophenyl)-5-methyl-1H-pyrazol-4-amine
SMILESCc1[nH]ncc1Nc1cccc(Br)c1
InChIInChI=1S/C10H10BrN3/c1-7-10(6-12-14-7)13-9-4-2-3-8(11)5-9/h2-6,13H,1H3,(H,12,14)
InChIKeyRVILZVMSIQAATQ-UHFFFAOYSA-N
XLogP3.22
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.12
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-bromoanilino)-6-methyl-1H-pyrimidin-2-one
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N-(3-bromophenyl)-1,5-dimethylpyrazol-4-amine
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N-(3-bromophenyl)-1H-1,2,4-triazol-5-amine
CID 129131974
2-N-(5-methyl-1H-pyrazol-4-yl)benzene-1,2-diamine
CID 115017562
1-N-(3-bromophenyl)-2-N-(2,4,6-trimethylphenyl)benzene-1,2-diamine
CID 176782493
4-[(5-methyl-1H-pyrazol-4-yl)amino]benzoic acid
CID 115029933
3-bromo-N-phenylaniline
CID 14958606
N-(3-bromophenyl)-2,8-dimethylquinolin-4-amine
CID 772388
4-N-(3-bromophenyl)-2-methylbenzene-1,4-diamine
CID 43436300
1-N-(3-bromophenyl)-2-iodobenzene-1,4-diamine
CID 66094560
5-bromo-N-(3-bromophenyl)pyridin-2-amine
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N-[4-(3-chloroanilino)-1H-pyrazol-5-yl]methanesulfonamide
CID 57244208

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-5-methyl-1H-pyrazol-4-amine?
The IUPAC name of N-(3-bromophenyl)-5-methyl-1H-pyrazol-4-amine (CID 115046902) is N-(3-bromophenyl)-5-methyl-1H-pyrazol-4-amine.
What is the SMILES notation for N-(3-bromophenyl)-5-methyl-1H-pyrazol-4-amine?
The canonical SMILES for N-(3-bromophenyl)-5-methyl-1H-pyrazol-4-amine is Cc1[nH]ncc1Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-5-methyl-1H-pyrazol-4-amine?
The InChIKey is RVILZVMSIQAATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3/c1-7-10(6-12-14-7)13-9-4-2-3-8(11)5-9/h2-6,13H,1H3,(H,12,14).
What are the key properties of N-(3-bromophenyl)-5-methyl-1H-pyrazol-4-amine?
N-(3-bromophenyl)-5-methyl-1H-pyrazol-4-amine has a molecular weight of 252.12 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-5-methyl-1H-pyrazol-4-amine is sourced from PubChem (CID 115046902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).